SCHEMBL8430460

SCHEMBL8430460

CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.54
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 3/20 0.51
REN P00797 1/20 0.49
CTSS P25774 4/20 0.48
MMP9 P14780 1/20 0.48
PSMB5 P28074 1/20 0.48
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 2/20 0.46
SYK P43405 1/20 0.46
MMP1 P03956 3/20 0.44
PSMB10 P40306 1/20 0.44
CACNA1B Q00975 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8432281 0.94 KLK5 (0.59) KLK7KLK5PPARACTSSMMP9
SCHEMBL8430408 0.90 PPARA (0.49) KLK7KLK5PPARARENCTSS
SCHEMBL8430677 0.90 PPARA (0.49) KLK7KLK5PPARARENCTSS
SCHEMBL8640881 0.90 PPARA (0.49) KLK7KLK5PPARARENCTSS
SCHEMBL8431707 0.90 PPARA (0.49) KLK7KLK5PPARARENCTSS
SCHEMBL8430410 0.90 PPARA (0.49) KLK7KLK5PPARARENCTSS
SCHEMBL9218155 0.89 KLK7 (0.53) KLK7KLK5PPARARENCTSS
SCHEMBL7406802 0.88 KLK7 (0.54) KLK7KLK5PPARACTSSMMP9
SCHEMBL7410104 0.88 KLK7 (0.54) KLK7KLK5PPARACTSSMMP9
SCHEMBL7406054 0.86 KLK7 (0.55) KLK7KLK5PPARARENCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919769-A ANTIINFLAMMATORY AGENT KANEBO, LTD (JP) 1999-07-06 US disclosed
EP-0859005-A1 FUCOSE DERIVATIVES, DRUGS CONTAINING THE SAME AS ACTIVE INGREDIENT, AND INTERMEDIATES FOR PRODUCING THE SAME KANEBO, LTD. (JP) 1998-08-19 EP disclosed